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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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DOE OSTI2024

The Essence of Cryptol: A Denotational Cryptol Interpreter in Coq for Foundational Assurances for Quantum Resistant Cryptosystems

Systems of the utmost consequence need a means to establish authenticity of software and data. Cryptosystems implement authentication, but can be vulnerable to cryptographic and implementation attacks. With the threat of quantum cryptographic attacks, “post-quantum” cryptosystems (PQCs) must be henceforth used in these systems. However, the new cryptography needs new ways to, rigorously and machine-checkably, prove systems free of vulnerabilities. We propose a retargetable capability to rapidly instantiate proven correct postquantum cryptosystems through novel proof-carrying synthesis and proof-automation technique, extending those proven successful on existing systems. This capability is crucial to meeting the cryptographic requirements for future high-consequence systems. Since specifications for high consequence cryptography are presently captured in a domain specific language known as Cryptol. While this can enable convenient fully automated reasoning about Cryptol specificaitons and implementations via the Software Analysis Workbench (SAW), Cryptol has expressivity gaps, so that cryptosystems with probabilistic programming features like Falcon cannot be fully expressed in the language. Moreover, SAW’s automation fails for programs and specificaitons with inductive and recursive structure, as in the Sphincs+ PQC. Finally, Cryptol and SAW together represent some 200,000 lines of unverified Haskell, so that the any guarantees about high consequence cryptography are presently contingent on a large, unverified, yet trusted computing base. The first step of the larger project of agile, assured crpytography is therefore to provide a formal, mechanized semantics for Cryptol, so that the specifications expressed by cryptographers in Cryptol can be reasoned about and compiled into performant implementations with a foundational, machine checkable certificate of correctness. This report describes our work on this first step, culminating in the design of a certified denotational interpreter, in Coq, for core Cryptol.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

GEOSH: Ideal Gas Chemical Equation of State

We present the framework and methodology for the new Los Alamos National Laboratory (LANL) G as chemical E quation O f S tate at H igher temperatures code (GEOSH) which aims to accurately model the behavior of chemically complex gaseous mixtures in equilibrium. Assuming the ideal gas approximation, GEOSH leverages the recursive nature of the Saha ionization and molecular equations in order to eliminate the molecular and ionic degrees of freedom, thereby reducing the problem size to the number of atomic species plus one for the free electrons if ions are included. This approach allows the chemical species, both molecular and ionic, of the mixture to be expressed in terms of the abundances of the elemental species. As a result, the GEOSH framework achieves a reduction in computational expense, increased processing speed, and the capability to efficiently model large-scale chemical networks. This report provides the necessary physical background and theoretical foundations for the GEOSH code, accompanied by benchmarking studies.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

Intelligent Experiments through Real-Time AI: Fast Data Processing and Autonomous Detector Control for High-Energy Nuclear Experiments

The aim of this project is to develop software and hardware for fast real-time data processing and autonomous detector control and calibration for the sPHENIX and the future EIC experiments. Below summarizes Georgia Tech team efforts in the past year: 1. We developed a real-time clustering algorithm and FPGA-based pipeline architecture for processing fired pixel data from ALPIDE sensors in sPHENIX experiments. Our Columnar Clustering Co-Design introduces a hardware-aware, stream-friendly approach that segments pixel data by column pairs using a Column Pair Clustering (CPC) strategy, followed by Cluster Stitching to merge adjacent subclusters. Implemented in Vitis HLS, the pipeline comprises five stages—read-in, subclustering, stitching, analysis, and write-out—connected by tagged HLS streams with custom end-of-event signaling for robust synchronization. We designed a pipelined dataflow model optimized for throughput, low latency, and minimal buffering, enabling scalable clustering across events of arbitrary size. Our system maintains spatial precision via center-of-mass and shape key extraction and efficiently handles edge cases such as fragmented or nested clusters. Compared against DBSCAN in both software and hardware, our approach demonstrates competitive performance under FPGA constraints. 2. We also conducted a comprehensive algorithm-to-hardware co-design of connected component analysis tailored for sPHENIX experiments, focusing on real-time, low-latency processing using FPGAs and High-Level Synthesis (HLS). Starting from a Python-based particle tracking pipeline, the team translated the core logic—graph traversal via DFS and Union-Find—into an HLS-compatible C++ model, replacing dynamic memory and recursion with static arrays and pipelined control flow. The final design includes a fully streamed and dataflow-compatible Union-Find kernel optimized across five iterations, incorporating loop pipelining, array partitioning, AXI/FIFO interface tuning, and function flattening. Experimental results show up to 14.8× speedup over the CPU baseline, reducing per-graph latency to 1.58 μs and demonstrating strong resource efficiency with only ~7k LUTs and zero BRAM usage. The design maintains functional correctness against the Python reference using a Python-based C-simulation framework and Mean Squared Error metrics. This work validates the potential of HLS-driven FPGA designs for edge-level HEP data acquisition, laying a scalable foundation for future integration with real-time detector pipelines and multi-graph processing systems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Heavy-Duty Vehicle Air Drag Coefficient Estimation: From an Algebraic Perspective

When a heavy-duty vehicle (HDV) operates at the nominal highway speed, over two-thirds of its total resistive force comes from the air drag, contributing to more than half of its fuel consumption. One effective countermeasure to reduce the fuel consumption of HDVs is platooning, which employs connectivity and automated driving technologies to link two or more HDVs in convoy. Platooning allows HDVs to drive closer together and yields improved fuel economy and less CO2 emission thanks to the reduced air drag. Maximizing the energy benefits of an HDV platoon requires quantifying the drag interaction between vehicles. In practice, modeling the drag reduction in a platoon boils down to identifying the relationship between the air drag coefficient C d and the inter-vehicle distance d. Existing approaches to identify C d (d) include vehicle field tests, wind tunnel experiments, and computational fluid dynamics simulation, which can howbeit be time-consuming and cost prohibitive. In contrast, this paper proposes an algebraic approach, which relies on onboard-measurable variables, to estimate the air drag coefficient of an HDV in a platoon. Its algebraic nature avoids the classical persistence of excitation condition for parameter identification and can yield the identified parameter almost instantaneously. Simulation results demonstrate its effectiveness and the improved estimation speed over a recursive least squares identifier.

Wang, Zejiang↗
DOE OSTI2023

Game-Theoretic Strategies for Quantum-Conventional Network Infrastructures

Fundamentally and practically, quantum networks and conventional networks are inextricably tied, since the basic quantum protocols such as teleportation require both networks and the conventional network fiber is also used for the quantum network. A Recursive System of Systems (RSOS) model is developed for quantum-conventional (QC) networks by modeling the correlations at various levels based on the failure and attack modes of quantum, conventional and hybrid components and the propagative effects across QC boundaries. A game-theoretic formulation is developed to capture the cost-benefit trade-offs of the provider in defending against component attacks, using sum-form utility functions. By applying the Nash Equilibrium results, the conditions and sensitivity functions of the survivalprobabilities of a QC network at different levels are derived using the strong dependencies between quantum and conventional infrastructures. The results provide insights into the dependenciesbetween conventional and quantum networks, including cross QC boundary effects in terms of disruption impact of conventional networks on quantum networks, and vice versa.

Rao, Nageswara↗
DOE OSTI2023

Evolution of Robustness in Growing Random Networks

Networks are widely used to model the interaction between individual dynamic systems. In many instances, the total number of units and interaction coupling are not fixed in time, and instead constantly evolve. In networks, this means that the number of nodes and edges both change over time. Various properties of coupled dynamic systems, such as their robustness against noise, essentially depend on the structure of the interaction network. Therefore, it is of considerable interest to predict how these properties are affected when the network grows as well as their relationship to the growth mechanism. Here, we focus on the time evolution of a network’s Kirchhoff index. We derive closed-form expressions for its variation in various scenarios, including the addition of both edges and nodes. For the latter case, we investigate the evolution where single nodes with one or two edges connecting to existing nodes are added recursively to a network. In both cases, we derive the relations between the properties of the nodes to which the new node connects along with the global evolution of network robustness. In particular, we show how different scalings of the Kirchhoff index can be obtained as a function of the number of nodes. We illustrate and confirm this theory via numerical simulations of randomly growing networks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Multiresolution GPC-Structured Control of a Single-Loop Cold-Flow Chemical Looping Testbed

Chemical looping is a near-zero emission process for generating power from coal. It is based on a multi-phase gas-solid flow and has extremely challenging nonlinear, multi-scale dynamics with jumps, producing large dynamic model uncertainty, which renders traditional robust control techniques, such as linear parameter varying H ∞ design, largely inapplicable. This process complexity is addressed in the present work through the temporal and the spatiotemporal multiresolution modeling along with the corresponding model-based control laws. Namely, the nonlinear autoregressive with exogenous input model structure, nonlinear in the wavelet basis, but linear in parameters, is used to identify the dominant temporal chemical looping process dynamics. The control inputs and the wavelet model parameters are calculated by optimizing a quadratic cost function using a gradient descent method. The respective identification and tracking error convergence of the proposed self-tuning identification and control schemes, the latter using the unconstrained generalized predictive control structure, is separately ascertained through the Lyapunov stability theorem. The rate constraint on the control signal in the temporal control law is then imposed and the control topology is augmented by an additional control loop with self-tuning deadbeat controller which uses the spatiotemporal wavelet riser dynamics representation. The novelty of this work is three-fold: (1) developing the self-tuning controller design methodology that consists in embedding the real-time tunable temporal highly nonlinear, but linearly parametrizable, multiresolution system representations into the classical rate-constrained generalized predictive quadratic optimal control structure, (2) augmenting the temporal multiresolution loop by a more complex spatiotemporal multiresolution self-tuning deadbeat control loop, and (3) demonstrating the effectiveness of the proposed methodology in producing fast recursive real-time algorithms for controlling highly uncertain nonlinear multiscale processes. The latter is shown through the data from the implemented temporal and augmented spatiotemporal solutions of a difficult chemical looping cold flow tracking control problem.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Quasar Identification Using Multivariate Probability Density Estimated from Nonparametric Conditional Probabilities

Nonparametric estimation for a probability density function that describes multivariate data has typically been addressed by kernel density estimation (KDE). A novel density estimator recently developed by Farmer and Jacobs offers an alternative high-throughput automated approach to univariate nonparametric density estimation based on maximum entropy and order statistics, improving accuracy over univariate KDE. This article presents an extension of the single variable case to multiple variables. The univariate estimator is used to recursively calculate a product array of one-dimensional conditional probabilities. In combination with interpolation methods, a complete joint probability density estimate is generated for multiple variables. Good accuracy and speed performance in synthetic data are demonstrated by a numerical study using known distributions over a range of sample sizes from 100 to 10 6 for two to six variables. Performance in terms of speed and accuracy is compared to KDE. The multivariate density estimate developed here tends to perform better as the number of samples and/or variables increases. As an example application, measurements are analyzed over five filters of photometric data from the Sloan Digital Sky Survey Data Release 17. The multivariate estimation is used to form the basis for a binary classifier that distinguishes quasars from galaxies and stars with up to 94% accuracy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Adaptively Learned Modeling for a Digital Twin of Hydropower Turbines with Application to a Pilot Testing System

In the development of a digital twin (DT) for hydropower turbines, dynamic modeling of the system (e.g., penstock, turbine, speed control) is crucial, along with all the necessary data interface, virtualization, and dashboard designs. Since the DT must mimic the actual dynamics of the hydropower turbine accurately, adaptive learning is required to train these dynamic models online so that the models in the DT can effectively follow the representation of the actual hydropower turbine dynamics accurately and reliably. This study presents an adaptive learning method for obtaining the hydropower turbine models for DT development of hydropower systems using the recursive least squares algorithm. To simplify the formulation, the hydropower turbine under consideration was assumed to operate near a fixed operating point, where the system dynamics can be well represented by a set of linear differential equations with constant parameters. In this context, the well-known six-coefficient model for the Francis turbine was formulated as the starting point to obtain input and output models for the turbine. Then, an adaptive learning mechanism was developed to learn model parameters using real-time data from a hydropower turbine testing system. This led to semi-physical modeling, in which first principles and data-driven modeling are integrated to produce dynamic models for DT development. Applications to a pilot system at the Norwegian University of Science and Technology (NTNU) were made, and the models learned adaptively using the data collected from the university’s pilot system. Desired modeling and validation results were obtained.

13 HYDRO ENERGY↗
DOE OSTI2020

Coupled Gas-Exchange Model for C4 Leaves Comparing Stomatal Conductance Models

Plant simulation models are abstractions of plant physiological processes that are useful for investigating the responses of plants to changes in the environment. Because photosynthesis and transpiration are fundamental processes that drive plant growth and water relations, a leaf gas-exchange model that couples their interdependent relationship through stomatal control is a prerequisite for explanatory plant simulation models. Here, we present a coupled gas-exchange model for C4 leaves incorporating two widely used stomatal conductance submodels: Ball–Berry and Medlyn models. The output variables of the model includes steady-state values of CO2 assimilation rate, transpiration rate, stomatal conductance, leaf temperature, internal CO2 concentrations, and other leaf gas-exchange attributes in response to light, temperature, CO2, humidity, leaf nitrogen, and leaf water status. We test the model behavior and sensitivity, and discuss its applications and limitations. The model was implemented in Julia programming language using a novel modeling framework. Our testing and analyses indicate that the model behavior is reasonably sensitive and reliable in a wide range of environmental conditions. The behavior of the two model variants differing in stomatal conductance submodels deviated substantially from each other in low humidity conditions. The model was capable of replicating the behavior of transgenic C4 leaves under moderate temperatures as found in the literature. The coupled model, however, underestimated stomatal conductance in very high temperatures. This is likely an inherent limitation of the coupling approaches using Ball–Berry type models in which photosynthesis and stomatal conductance are recursively linked as an input of the other.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Advancing Tassel Detection and Counting: Annotation and Algorithms

Tassel counts provide valuable information related to flowering and yield prediction in maize, but are expensive and time-consuming to acquire via traditional manual approaches. High-resolution RGB imagery acquired by unmanned aerial vehicles (UAVs), coupled with advanced machine learning approaches, including deep learning (DL), provides a new capability for monitoring flowering. In this article, three state-of-the-art DL techniques, CenterNet based on point annotation, task-aware spatial disentanglement (TSD), and detecting objects with recursive feature pyramids and switchable atrous convolution (DetectoRS) based on bounding box annotation, are modified to improve their performance for this application and evaluated for tassel detection relative to Tasselnetv2+. The dataset for the experiments is comprised of RGB images of maize tassels from plant breeding experiments, which vary in size, complexity, and overlap. Results show that the point annotations are more accurate and simpler to acquire than the bounding boxes, and bounding box-based approaches are more sensitive to the size of the bounding boxes and background than point-based approaches. Overall, CenterNet has high accuracy in comparison to the other techniques, but DetectoRS can better detect early-stage tassels. The results for these experiments were more robust than Tasselnetv2+, which is sensitive to the number of tassels in the image.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Factors Controlling a Synthetic Aperture Radar (SAR) Derived Root-Zone Soil Moisture Product over The Seward Peninsula of Alaska

Root-zone soil moisture exerts a fundamental control on vegetation, energy balance, and the carbon cycle in Arctic ecosystems, but it is still not well understood in vast, remote, and understudied regions of discontinuous permafrost. The root-zone soil moisture product (30 m resolution) used in this analysis was retrieved from a time-series P-Band (420–440 MHz) synthetic aperture radar (SAR) backscatter observations (August 2017 & October 2017). While similar approaches have been taken to retrieve surface (0 cm to 5 cm) soil moisture from L-Band (1.2 GHz) SAR backscatter, this is one of the first known attempts at reaching the root-zone in permafrost regions. Here, we analyze secondary factors (excluding primary factors, such as precipitation) controlling summer (August) soil moisture at depths of 6 cm, 12 cm, and 20 cm over a 4500 km2 area on the Seward Peninsula of Alaska. Using a random forest model, we quantify the impact of topography, vegetation, and meteorological factors on soil moisture distributions. In developing the random forest model, we explore a variety of feature scales (30 m, 60 m, 90 m, 120 m, 180 m, and 240 m), tune hyperparameters (the structure of individual decision trees making up the ensemble including the number and depth of trees), and perform the final feature selection using cross-validated recursive feature elimination. Results suggest that root-zone soil moisture on the Seward Peninsula is primarily controlled by vegetation at 6 cm, but deeper in the soil column topography and meteorological factors, such as predominant winter wind direction and summer insolation, play a larger role. The random forest model accounts for 40% to 60% of the variation observed (R2 = 0.44 at 6 cm, R2 = 0.52 at 12 cm, R2 = 0.58 at 20 cm). These results indicate that vegetation is the dominant control on soil moisture shallow in the soil column, but the impact of vegetation does not extend to deeper layers retrieved from P-Band SAR backscatter.

Dann, Julian↗
DOE OSTI2022

Quantum Circuits for the Preparation of Spin Eigenfunctions on Quantum Computers

The application of quantum algorithms to the study of many-particle quantum systems requires the ability to prepare wave functions that are relevant in the behavior of the system under study. Hamiltonian symmetries are important instruments used to classify relevant many-particle wave functions and to improve the efficiency of numerical simulations. In this work, quantum circuits for the exact and approximate preparation of total spin eigenfunctions on quantum computers are presented. Two different strategies are discussed and compared: exact recursive construction of total spin eigenfunctions based on the addition theorem of angular momentum, and heuristic approximation of total spin eigenfunctions based on the variational optimization of a suitable cost function. The construction of these quantum circuits is illustrated in detail, and the preparation of total spin eigenfunctions is demonstrated on IBM quantum devices, focusing on three- and five-spin systems on graphs with triangle connectivity.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Automated Detection of Instability-Inducing Channel Geometry Transitions in Saint-Venant Simulation of Large-Scale River Networks

A new sweep-search algorithm (SSA) is developed and tested to identify the channel geometry transitions responsible for numerical convergence failure in a Saint-Venant equation (SVE) simulation of a large-scale open-channel network. Numerical instabilities are known to occur at “sharp” transitions in discrete geometry, but the identification of problem locations has been a matter of modeler’s art and a roadblock to implementing large-scale SVE simulations. The new method implements techniques from graph theory applied to a steady-state 1D shallow-water equation solver to recursively examine the numerical stability of each flowpath through the channel network. The SSA is validated with a short river reach and tested by the simulation of ten complete river systems of the Texas–Gulf Coast region by using the extreme hydrological conditions recorded during hurricane Harvey. The SSA successfully identified the problematic channel sections in all tested river systems. Subsequent modification of the problem sections allowed stable solution by an unsteady SVE numerical solver. The new SSA approach permits automated and consistent identification of problem channel geometry in large open-channel network data sets, which is necessary to effectively apply the fully dynamic Saint-Venant equations to large-scale river networks or for city-wide stormwater networks.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Counting abelian squares efficiently for a problem in quantum computing

Here, I describe how the number of abelian squares of given length relates to a certain problem in theoretical quantum computing, and I present a recursive formula for calculating the number of abelian squares of length t+t over an alphabet of size d. The presented formula is similar to previously known formula but has substantially lower complexity for large d, a key improvement resulting in a practical solution to the original application.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Mind the crosscap: $τ$-scaling in non-orientable gravity and time-reversal-invariant systems

Spectral statistics of quantum chaotic systems are governed by random matrix universality. In many cases of interest, time-reversal symmetry selects the Gaussian Orthogonal Ensemble (GOE) as the relevant universality class. In holographic CFTs, this is mirrored by the presence of non-orientable geometries in the dual gravitational path integral. In this work, we analyze general properties of these matrix models and their gravitational counterparts. First, we develop a formalism to express the universal level statistics in the canonical ensemble for arbitrary spectral curves, leading to a topological expansion with finite radius of convergence in the late-time $τ$-scaling limit. Then, we focus on topological gravity and study topological recursion on the moduli space of non-orientable surfaces. We find that the Weil-Petersson volumes display non-analytic behaviour multiplying polynomials in the boundary lengths. The volumes give rise to wormholes with late-time divergences, in contrast with the orientable case, which is finite. We identify systematic cancellations among WP volumes implied by the consistency and finiteness of the $τ$-scaling limit. In particular, the cancellation of late-time divergences requires a nontrivial genus resummation. Working in the gravitational microcanonical ensemble, we derive and resum all orders of the topological expansion matching the GOE matrix model in the high-energy regime.

Chaotic Dynamics (nlin.CD)↗
DOE OSTI2022

Graph Partitioning and Sparse Matrix Ordering using Reinforcement Learning and Graph Neural Networks

We present a novel method for graph partitioning, based on reinforcement learning and graph convolutional neural networks. Our approach is to recursively partition coarser representations of a given graph. The neural network is implemented using SAGE graph convolution layers, and trained using an advantage actor critic (A2C) agent. We present two variants, one for finding an edge separator that minimizes the normalized cut or quotient cut, and one that finds a small vertex separator. The vertex separators are then used to construct a nested dissection ordering to permute a sparse matrix so that its triangular factorization will incur less fill-in. The partitioning quality is compared with partitions obtained using METIS and SCOTCH, and the nested dissection ordering is evaluated in the sparse solver SuperLU. Our results show that the proposed method achieves similar partitioning quality as METIS and SCOTCH. Furthermore, the method generalizes across different classes of graphs, and works well on a variety of graphs from the SuiteSparse sparse matrix collection.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Reverse-mode differentiation in arbitrary tensor network format: with application to supervised learning.

This paper describes an efficient reverse-mode differentiation algorithm for contraction operations of tensor networks that may have arbitrary and unconventional network topologies. The approach leverages the tensor contraction tree of Evenbly and Pfeifer (2014), which provides an instruction set for the contraction sequence of a network. We show that this tree can be efficiently leveraged for differentiation of a full tensor network contraction using a recursive scheme that exploits (1) the bilinear property of contraction and (2) the property that trees have single path from root to leaves. While differentiation of tensor-tensor contraction is already possible in most automatic differentiation packages, we show that exploiting these two additional properties in the specific context of contraction sequences can improve efficiency. Following a description of the algorithm and computational complexity analysis, we investigate its utility for gradient-based supervised learning for low-rank function recovery and for fitting real-world unstructured datasets. We demonstrate improved performance over alternating least-squares optimization approaches and the capability to handle heterogeneous and arbitrary tensor network formats. When compared to alternating minimization algorithms, we find that the gradient-based approach requires a smaller oversampling ratio (number of samples compared to number model parameters) for recovery. This increased efficiency extends to fitting unstructured data of varying dimensionality and when employing a variety of tensor network formats. Here, we show improved learning using the hierarchical Tucker method over the tensor-train in high-dimensional settings on a number of benchmark problems.

97 MATHEMATICS AND COMPUTING↗